SCHEMBL21332069

SCHEMBL21332069

CC#Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)COC(F)F)CC3)CC2=O)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 6/20 0.32
USP2 O75604 4/20 0.32
ALDH1A1 P00352 4/20 0.32
CYP3A4 P08684 3/20 0.32
MAPK1 P28482 2/20 0.32
CYP1A2 P05177 3/20 0.32
CYP2C19 P33261 3/20 0.32
CYP2C9 P11712 2/20 0.32
HIF1A Q16665 1/20 0.31
TSHR P16473 2/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 2/20 0.30
RAB9A P51151 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22992073 0.92 ALDH1A1 (0.32) CYP2D6USP2ALDH1A1CYP3A4MAPK1
SCHEMBL24120353 0.90
SCHEMBL22908551 0.90 GHSR (0.33) CYP2D6USP2ALDH1A1CYP3A4MAPK1
SCHEMBL21344671 0.89 ALDH1A1 (0.42) CYP2D6USP2ALDH1A1CYP3A4MAPK1
SCHEMBL22992187 0.88 CGAS (0.32) ALDH1A1CYP3A4MAPK1CYP1A2
SCHEMBL22992246 0.88 ALDH1A1 (0.35) CYP2D6USP2ALDH1A1CYP3A4MAPK1
SCHEMBL22992188 0.87 ALDH1A1 (0.33) CYP2D6ALDH1A1CYP3A4MAPK1CYP1A2
SCHEMBL21343725 0.87 ALDH1A1 (0.35) ALDH1A1MAPK1CYP1A2TSHRHPGD
SCHEMBL21344283 0.87 USP2 (0.35) USP2ALDH1A1CYP3A4MAPK1CYP1A2
SCHEMBL21344284 0.86 TSHR (0.32) CYP2D6ALDH1A1CYP3A4MAPK1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
US-12043599-B2 Herbicidal compounds SYNGENTA PARTICIPATIONS AG (CH) 2024-07-23 US disclosed
CN-111886229-B Herbicidal compounds 先正达参股股份有限公司 2023-12-29 CN disclosed
EP-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP disclosed
EP-3762378-B1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2022-05-18 EP disclosed
US-20210047274-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 US disclosed
US-20210047274-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-02-18 US disclosed
WO-2021018826-A1 CYCLIC DIONES AS HERBICIDES SYNGENTA CROP PROTECTION AG (CH) 2021-02-04 WO disclosed
EP-3762378-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2021-01-13 EP disclosed
WO-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 WO disclosed
WO-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20210047274-A1 HERBICIDAL COMPOUNDS DDT, CBR3, GLRX3 CYP2D6 120/4885USP2 2071/4885ALDH1A1 57/4885
US-12043599-B2 Herbicidal compounds DDT, CBR3, GLRX3 CYP2D6 120/4885USP2 2071/4885ALDH1A1 57/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.